1-((4-Methyl-3-nitrophenyl)methyl)-4-phenylpiperazine
TL;DR: 1-((4-Methyl-3-nitrophenyl)methyl)-4-phenylpiperazine (CAS 74101-69-2) is a chemical compound with molecular formula C18H21N3O2 and molecular weight 311.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(4-methyl-3-nitrophenyl)methyl]-4-phenylpiperazine
Also Known As: 2-Methyl-5-(N-phenylpiperazinomethyl)nitrobenzene, 1-[(4-methyl-3-nitrophenyl)methyl]-4-phenylpiperazine, Piperazine, 1-((4-methyl-3-nitrophenyl)methyl)-4-phenyl-, 1-((4-Methyl-3-nitrophenyl)methyl)-4-phenylpiperazine, RefChem:1053656
| Molecular Formula | C18H21N3O2 |
|---|---|
| Molecular Weight | 311.16 g/mol |
| LogP | 3.22542 |
| Topological Polar Surface Area | 49.62 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 311.1634 |
| Heavy Atoms | 23 |
| Complexity | 679.92096 |
Chemical Identifiers
| CAS Number | 74101-69-2 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)CN2CCN(CC2)C3=CC=CC=C3)[N+](=O)[O-] |
Product Overview
1-((4-Methyl-3-nitrophenyl)methyl)-4-phenylpiperazine (CAS 74101-69-2), with molecular formula C18H21N3O2 and molecular weight 311.16 g/mol. IUPAC: 1-[(4-methyl-3-nitrophenyl)methyl]-4-phenylpiperazine.
Chemical Property Profile of 1-((4-Methyl-3-nitrophenyl)methyl)-4-phenylpiperazine
Property Insights of 1-((4-Methyl-3-nitrophenyl)methyl)-4-phenylpiperazine
The XLogP value of 3.22542 indicates that 1-((4-Methyl-3-nitrophenyl)methyl)-4-phenylpiperazine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.62 Ų, 1-((4-Methyl-3-nitrophenyl)methyl)-4-phenylpiperazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-((4-Methyl-3-nitrophenyl)methyl)-4-phenylpiperazine has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-((4-Methyl-3-nitrophenyl)methyl)-4-phenylpiperazine?
The CAS number of 1-((4-Methyl-3-nitrophenyl)methyl)-4-phenylpiperazine is 74101-69-2.
What is the molecular formula of 1-((4-Methyl-3-nitrophenyl)methyl)-4-phenylpiperazine?
The molecular formula of 1-((4-Methyl-3-nitrophenyl)methyl)-4-phenylpiperazine is C18H21N3O2.
What is the molecular weight of 1-((4-Methyl-3-nitrophenyl)methyl)-4-phenylpiperazine?
The molecular weight of 1-((4-Methyl-3-nitrophenyl)methyl)-4-phenylpiperazine is 311.16 g/mol.
Where can I buy 1-((4-Methyl-3-nitrophenyl)methyl)-4-phenylpiperazine?
You can request a quote for 1-((4-Methyl-3-nitrophenyl)methyl)-4-phenylpiperazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-((4-Methyl-3-nitrophenyl)methyl)-4-phenylpiperazine?
Yes, KEHONG BIO provides custom synthesis services for 1-((4-Methyl-3-nitrophenyl)methyl)-4-phenylpiperazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.